MassBank Record: JP000241



 3-(2-METHYLTHIOETHYL)-2,5-PIPRAZINEDIONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000241
RECORD_TITLE: 3-(2-METHYLTHIOETHYL)-2,5-PIPRAZINEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-(2-METHYLTHIOETHYL)-2,5-PIPRAZINEDIONE CH$NAME: CYCLO-GLYCYL-METHIONINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H12N2O2S CH$EXACT_MASS: 188.06195 CH$SMILES: CSCCC(N1)C(=O)NCC(=O)1 CH$IUPAC: InChI=1S/C7H12N2O2S/c1-12-3-2-5-7(11)8-4-6(10)9-5/h5H,2-4H2,1H3,(H,8,11)(H,9,10)
AC$INSTRUMENT: HITACHI RMU-6M AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-9400000000-7c0ae676189164f0be22 PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 14 1.5 15 15 3.9 39 26 1.7 17 27 1.42 14 28 40.1 401 29 9.2 92 30 44.3 443 31 0.15 2 32 5.5 55 35 5.3 53 39 5.4 54 40 0.17 2 41 11.6 116 42 10.9 109 43 3.4 34 44 0.41 4 45 10 100 46 4.3 43 47 9.9 99 48 0.48 5 49 2.4 24 52 1.3 13 54 6.9 69 55 0.55 6 56 19.5 195 57 21.3 213 58 2.9 29 59 0.39 4 60 1.6 16 61 25.9 259 62 12.9 129 63 0.2 2 67 2 20 68 2.9 29 69 2 20 70 0.16 2 71 1.3 13 72 1.2 12 73 1.6 16 74 0.15 2 75 6.3 63 82 1.5 15 83 1.4 14 84 0.31 3 85 13.5 135 86 10.6 106 87 1.3 13 88 0.36 4 97 1 10 98 1.2 12 99 19.7 197 100 0.16 2 111 1.5 15 113 3.2 32 114 99.99 999 115 0.56 6 116 1.2 12 126 1.7 17 127 15 150 128 0.12 1 140 4 40 141 1.4 14 188 28.1 281 189 0.31 3 190 1.4 14 //